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Compound Detail

CHEMBL4469930

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CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469930
Phase Preclinical
Structure Type MOL
InChI Key MFUQWIWIAJSSOH-VGOFMYFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
3.33
ALogP
4
HBA
1
HBD
71.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F2N2O3S
MW 348.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
30925338 10.1016/j.ejmech.2019.03.039 Glycogen synthase kinase-3 alpha 2
30925338 10.1016/j.ejmech.2019.03.039 Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine